1. Identifying “Greener” Analytical Methods in NEMI for More Environmentally Friendly Monitoring Jennifer L. Young 1, Paul T. Anastas 1 and Lawrence H. Keith 2 1 ACS Green Chemistry Institute, gci@acs.org www.greenchemistryinstitute.org 2 Instant Reference Sources, Inc National Monitoring Conference - May 10, 2006

2. 2Do Not Cite or Quote Overview  Background ACS Green Chemistry Institute Methods and Data Comparability Board NEMI  Applying Green Chemistry to Methods Green Chemistry and the 12 Principles “Greener” analytical method Selection Criteria Examples  How to develop “greener” methods  Status and Outlook

3. 3Do Not Cite or Quote Green Chemistry Institute  Founded in 1997 as an independent, nonprofit organization  Formed an alliance with the American Chemical Society in 2001  Mission: to advance the implementation of green chemistry principles into all aspects of the chemical enterprise. Research Industrial Implementation Education International Cooperation Policy Advocacy Conferences & Awards www.greenchemistryinstitute.org

4. 4Do Not Cite or Quote Methods and Data Comparability Board  A partnership of water-quality and environmental monitoring experts facilitating collaborations of nationwide environmental monitoring  Chartered under the National Water Quality Monitoring Council  Workgroups National Environmental Methods Index (+ green chemistry profiles of methods) Water Quality Data Elements Lab and Field Accreditation Biology and Microbiology Performance Based Systems & Nutrients (PBS/Nutrients) New Technologies

5. 5Do Not Cite or Quote NEMI Homepage www.nemi.gov  Searchable, free, online database  Contains 800+ methods  Dynamic  Useful for searching & comparing methods

6. 6Do Not Cite or Quote “Greener” Analytical Methods in NEMI  Why: Many methods used to analyze environmental samples are themselves harmful to the environment.  What: GCI is working with NEMI/MDCB to define and identify “Greener” Analytical Methods within NEMI that: use fewer hazardous solvents use safer chemicals prevent waste  Goal: To provide “greenness” profiles so NEMI users can make more informed decisions when selecting a method. The method selected must also meet the desired performance criteria.  Funded by the ACS Petroleum Research Fund.

7. 7Do Not Cite or Quote What is Green Chemistry?  Green chemistry is the design of chemical products and processes that reduce or eliminate the use and/or generation of hazardous substances.

8. 8Do Not Cite or Quote Principles of Green Chemistry 12 Principles of Green Chemistry can be used as guidelines for defining a “Greener” Analytical Method (abbreviated list*), especially the principles in bold: 1) Prevent waste 2) Maximize atom economy 3) Design less hazardous chemical syntheses 4) Design safer chemicals and products 5) Use safer solvents and reaction conditions 6) Increase energy efficiency 7) Use renewable feedstocks 8) Avoid chemical derivatives 9) Use catalysts, not stoichiometric reagents 10) Design chemicals and products that degrade after use 11) Analyze in real time to prevent pollution 12) Minimize the potential for accidents * Anastas, P. T. and Warner, J. C. Green Chemistry: Theory and Practice, Oxford University Press: New York, 2000.

9. 9Do Not Cite or Quote Definition of a “Greener” Analytical Method  An analytical method that meets the selection criteria that were developed based on the 12 Principles of Green Chemistry.

10. 10Do Not Cite or Quote Selection Criteria and Symbol  Selection Criteria PBT, Toxic, Corrosive, and Waste Translate data from methods into “greenness” profile Identify what is “less green” Not arbitrary but not set in stone Developed in collaboration with 25+ methods experts from 5+ Federal agencies and private labs Toxic PBT Corrosive Waste Brown-filled quadrant = the method is “less green” as defined by the selection criteria related to that quadrant.

11. 11Do Not Cite or Quote Selection Criteria A method is “less green” if: 1. PBT – A chemical is listed as persistent, bioaccumulative, and toxic (PBT). 2. Toxic – A chemical is listed on the TRI or RCRA’s D, F, P or U lists. Toxic PBT Corrosive Waste Toxic PBT Corrosive Waste

12. 12Do Not Cite or Quote Selection Criteria Continued 3. Corrosive – pH is 12, or if > 1% concentrated mineral acids or bases are used. 4. Waste – > 50 g total waste, or the ratio of work-up materials to solid sample > 1. 5. Waste – > 50 g total waste, or the ratio of work-up materials to liquid sample > 0.2. Toxic PBT Corrosive Waste Toxic PBT Corrosive Waste A method is “less green” if:

13. 13Do Not Cite or Quote NEMI Quick/Advanced (Analyte) Search We will add a new column in the search results. For example: “Greenness” Profile

14. 14Do Not Cite or Quote “Greenness” Profiles  Method 525.5 PBT – no PBT Toxic – “less green” (ethyl acetate, methylene chloride, methanol) Corrosive – “less green” (pH <2) Waste – “less green” (> 50g waste) Toxic PBT Corrosive Waste Toxic PBT Corrosive Waste * “Greenness” profiles will be available through the Method Summary screen in NEMI, with detailed chemicals, amounts, pH, and waste, to inform the user’s decision.  Method 505 PBT – no PBT Toxic – “less green” (hexane) Corrosive – no acid/base Waste – < 50g waste

15. 15Do Not Cite or Quote How to Develop “Greener” Methods  Develop “greener”, innovative methods without reducing the integrity of the analytical method  Use “greenness” profiles and selection criteria as guidelines to develop “greener” methods  Use alternatives to: PBTs Chemicals on the TRI or RCRA lists Extremes in pH, 12 Generating more than 50 g of waste or the ratio of work- up materials to sample >1 for solid sample and > 0.2 for liquid sample

16. 16Do Not Cite or Quote Status and Outlook  Rajender Brahman (intern) is developing the “greenness” profiles for the 800+ methods in NEMI  Summer 2006: “Greenness” profiles will go “live” on www.nemi.gov  Future opportunities Encourage new “greener” methods development Bring “greener” methods into NEMI Develop into teaching tool for relating green chemistry to analytical methods

17. 17Do Not Cite or Quote Upcoming Green Chemistry Conference 10 th Annual Green Chemistry & Engineering Conference June 26-30, 2006 Capital Hilton Washington, DC Register early to receive discounts To learn more and to register, visit: www.GreenChem2006.org

18. 18Do Not Cite or Quote Extra Slides

19. 19Do Not Cite or Quote “Greener” Analytical Chemistry Many aspects of an analytical method affect whether the method is “greener”, including:  Sample preparation  Reagents (chemical reaction, digestion, etc.)  Solvents (extractions, carrier fluid, etc.)  Preservatives  Waste (quantity, toxicity)

20. 20Do Not Cite or Quote Not Included in “Greenness” Profiles It was determined that these method components will not be included now in the “greenness” profile. This list is subject to change in the future.  Calibration/Standards  QC  Collected sample not worked-up for analysis  Energy use  Instrument

21. 21Do Not Cite or Quote “Greenness” Profile NEMI General Search We will add a new column in the search results. For example:

22. 22Do Not Cite or Quote “Greenness” Profiles  Method 200.13 PBT – no PBT Toxic – “less green” (nitric acid) Corrosive – “less green” (pH <2) Waste – “less green” (> 50g waste)  Method 200.8 PBT – no PBT Toxic – “less green” (nitric acid) Corrosive – “less green” (pH <2) Waste – < 50g waste Toxic PBT Corrosive Waste Toxic PBT Corrosive Waste * “Greenness” profiles will be available through the Method Summary screen in NEMI, with detailed chemicals, amounts, pH, and waste, to inform the user’s decision.